SIMILAR PATTERNS OF AMINO ACIDS FOR 2QMQ_A_BEZA3

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b63 MUTL

(Escherichia
coli) 		PF01119
(DNA_mis_repair)
PF13589
(HATPase_c_3) 		4 TYR A 152
GLN A  13
PHE A 151
ARG A 158
 None
 1.37A 2qmqA-1b63A:
0.0		 2qmqA-1b63A:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e7s GDP-FUCOSE
SYNTHETASE

(Escherichia
coli) 		PF01370
(Epimerase) 		4 TYR A 309
GLN A 316
PHE A 173
ARG A 186
 None
 1.46A 2qmqA-1e7sA:
1.3		 2qmqA-1e7sA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jlx AGGLUTININ

(Amaranthus
caudatus) 		PF07468
(Agglutinin) 		4 GLN A  32
PHE A  33
ARG A  19
HIS A  14
 None
 1.39A 2qmqA-1jlxA:
0.0		 2qmqA-1jlxA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pv5 HYPOTHETICAL PROTEIN
YWQG

(Bacillus
subtilis) 		PF09234
(DUF1963) 		4 TYR A 198
TYR A 163
GLN A 162
PHE A 160
 None
 1.13A 2qmqA-1pv5A:
0.0		 2qmqA-1pv5A:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bdv PHAGE-RELATED
CONSERVED
HYPOTHETICAL
PROTEIN, BB2244

(Bordetella
bronchiseptica) 		PF02586
(SRAP) 		4 TYR A 103
TYR A  34
GLN A 207
ARG A   4
 None
 1.33A 2qmqA-2bdvA:
undetectable		 2qmqA-2bdvA:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2djn HOMEOBOX PROTEIN
DLX-5

(Homo sapiens) 		PF00046
(Homeobox) 		4 TYR A  31
GLN A  56
PHE A  55
ARG A  59
 None
 1.26A 2qmqA-2djnA:
undetectable		 2qmqA-2djnA:
15.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dld D-LACTATE
DEHYDROGENASE

(Lactobacillus
helveticus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 TYR A  53
TYR A 102
ARG A  10
ARG A  77
 None
 1.45A 2qmqA-2dldA:
3.1		 2qmqA-2dldA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iu1 EUKARYOTIC
TRANSLATION
INITIATION FACTOR 5

(Homo sapiens) 		PF02020
(W2) 		4 TYR A 313
TYR A 362
ARG A 312
HIS A 316
 None
 1.13A 2qmqA-2iu1A:
0.0		 2qmqA-2iu1A:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jf4 PERIPLASMIC
TREHALASE

(Escherichia
coli) 		PF01204
(Trehalase) 		4 TYR A 202
TYR A 157
GLN A 207
ARG A 205
 VDM  A1548 (-4.5A)
VDM  A1548 (-3.7A)
VDM  A1548 (-3.3A)
VDM  A1548 (-3.8A)
 1.50A 2qmqA-2jf4A:
0.0		 2qmqA-2jf4A:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jgz G2/MITOTIC-SPECIFIC
CYCLIN-B1

(Homo sapiens) 		PF00134
(Cyclin_N)
PF02984
(Cyclin_C) 		4 TYR B 191
TYR B 334
ARG B 195
ARG B 188
 None
 1.35A 2qmqA-2jgzB:
0.0		 2qmqA-2jgzB:
25.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o8r POLYPHOSPHATE KINASE

(Porphyromonas
gingivalis) 		PF02503
(PP_kinase)
PF13089
(PP_kinase_N)
PF13090
(PP_kinase_C) 		4 TYR A 349
GLN A 677
ARG A 675
ARG A 682
 None
 1.42A 2qmqA-2o8rA:
undetectable		 2qmqA-2o8rA:
16.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r5y HOMEOTIC PROTEIN SEX
COMBS REDUCED

(Drosophila
melanogaster) 		PF00046
(Homeobox) 		4 TYR A 125
GLN A 150
PHE A 149
ARG A 152
 None
 1.47A 2qmqA-2r5yA:
undetectable		 2qmqA-2r5yA:
14.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Mycolicibacterium
smegmatis) 		PF02542
(YgbB) 		4 GLN A  70
PHE A  64
ARG A  68
HIS A  82
 None
 1.28A 2qmqA-2uzhA:
undetectable		 2qmqA-2uzhA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x05 EXO-BETA-D-GLUCOSAMI
NIDASE

(Amycolatopsis
orientalis) 		PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N) 		4 TYR A 525
GLN A 679
ARG A 627
HIS A 682
 None
 1.44A 2qmqA-2x05A:
undetectable		 2qmqA-2x05A:
13.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xmr PROTEIN NDRG2

(Homo sapiens) 		PF03096
(Ndr) 		5 TYR A  41
GLN A  66
PHE A  69
ARG A  83
HIS A  85
 ACT  A1306 ( 3.9A)
None
None
ACT  A1306 (-3.7A)
ACT  A1306 (-3.9A)
 0.44A 2qmqA-2xmrA:
46.5		 2qmqA-2xmrA:
91.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xmr PROTEIN NDRG2

(Homo sapiens) 		PF03096
(Ndr) 		5 TYR A  41
GLN A  70
PHE A  69
ARG A  83
HIS A  85
 ACT  A1306 ( 3.9A)
None
None
ACT  A1306 (-3.7A)
ACT  A1306 (-3.9A)
 0.73A 2qmqA-2xmrA:
46.5		 2qmqA-2xmrA:
91.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xmr PROTEIN NDRG2

(Homo sapiens) 		PF03096
(Ndr) 		5 TYR A  41
TYR A  61
GLN A  70
ARG A  83
HIS A  85
 ACT  A1306 ( 3.9A)
None
None
ACT  A1306 (-3.7A)
ACT  A1306 (-3.9A)
 1.06A 2qmqA-2xmrA:
46.5		 2qmqA-2xmrA:
91.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bif PROTEIN
(6-PHOSPHOFRUCTO-2-K
INASE/
FRUCTOSE-2,6-BISPHOS
PHATASE)

(Rattus
norvegicus) 		PF00300
(His_Phos_1)
PF01591
(6PF2K) 		4 TYR A  85
PHE A  90
ARG A 193
ARG A  78
 None
None
SIN  A 505 (-4.6A)
SIN  A 505 (-3.7A)
 1.49A 2qmqA-3bifA:
2.1		 2qmqA-3bifA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ejf NON-STRUCTURAL
PROTEIN 3

(Avian
coronavirus) 		PF01661
(Macro) 		4 TYR A 122
GLN A  88
PHE A  30
ARG A 153
 None
 1.10A 2qmqA-3ejfA:
undetectable		 2qmqA-3ejfA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lss SERYL-TRNA
SYNTHETASE

(Trypanosoma
brucei) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		4 GLN A   6
PHE A   8
ARG A   9
ARG A 129
 None
 1.44A 2qmqA-3lssA:
undetectable		 2qmqA-3lssA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3thc BETA-GALACTOSIDASE

(Homo sapiens) 		PF01301
(Glyco_hydro_35)
PF13364
(BetaGal_dom4_5) 		4 TYR A 306
TYR A  83
GLN A  81
HIS A  56
 GAL  A 900 (-4.6A)
CL  A 801 (-4.2A)
CL  A 801 ( 4.6A)
CL  A 801 (-4.4A)
 1.42A 2qmqA-3thcA:
undetectable		 2qmqA-3thcA:
17.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c51 CATALASE-PEROXIDASE

(Mycobacterium
tuberculosis) 		PF00141
(peroxidase) 		4 TYR A 413
TYR A 426
PHE A 183
HIS A 417
 None
 1.10A 2qmqA-4c51A:
undetectable		 2qmqA-4c51A:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d4l 6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
SPHOSPHATASE 3

(Homo sapiens) 		PF00300
(His_Phos_1)
PF01591
(6PF2K) 		4 TYR A  81
PHE A  86
ARG A 189
ARG A  74
 None
 1.34A 2qmqA-4d4lA:
undetectable		 2qmqA-4d4lA:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ajz 6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
SPHOSPHATASE 3

(Homo sapiens) 		PF00300
(His_Phos_1)
PF01591
(6PF2K) 		4 TYR A  81
PHE A  86
ARG A 189
ARG A  74
 None
 1.35A 2qmqA-5ajzA:
undetectable		 2qmqA-5ajzA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hdh TOLL-LIKE RECEPTOR 8

(Homo sapiens) 		PF13855
(LRR_8) 		4 TYR A 348
PHE A 320
ARG A 259
HIS A 450
 None
 1.32A 2qmqA-5hdhA:
undetectable		 2qmqA-5hdhA:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k0w CLASS B
CARBAPENEMASE GOB-18

(Elizabethkingia
meningoseptica) 		PF00753
(Lactamase_B) 		4 TYR A 193
TYR A 257
GLN A 260
PHE A 262
 None
 1.35A 2qmqA-5k0wA:
undetectable		 2qmqA-5k0wA:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lki TCDA1

(Photorhabdus
luminescens) 		PF03538
(VRP1) 		4 TYR A 136
ARG A 999
ARG A 141
HIS A 130
 None
 1.38A 2qmqA-5lkiA:
undetectable		 2qmqA-5lkiA:
7.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m6p TYROCIDINE SYNTHASE
2

(Brevibacillus
parabrevis) 		no annotation 4 GLN A3132
PHE A3135
ARG A3143
HIS A3254
 None
 1.13A 2qmqA-5m6pA:
undetectable		 2qmqA-5m6pA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oq3 CWP19

(Clostridioides
difficile) 		no annotation 4 TYR A 386
TYR A 366
ARG A 356
ARG A  33
 None
 1.31A 2qmqA-5oq3A:
undetectable		 2qmqA-5oq3A:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5svc ACETONE CARBOXYLASE
ALPHA SUBUNIT

(Xanthobacter
autotrophicus) 		PF02538
(Hydantoinase_B) 		4 TYR A 298
TYR A 345
GLN A 191
HIS A 343
 None
 1.24A 2qmqA-5svcA:
undetectable		 2qmqA-5svcA:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f8z ALPHA-1,2-MANNOSIDAS
E, PUTATIVE

(Bacteroides
thetaiotaomicron) 		no annotation 4 TYR A 398
TYR A 386
GLN A 380
HIS A 437
 None
 1.45A 2qmqA-6f8zA:
undetectable		 2qmqA-6f8zA:
undetectable